Simulation moléculaire et effets d'environnement - Une perspective mathématique et numérique. - Eric Cancès (1998)

Towards Reduced Basis Approaches in ab initio Electronic Structure Computations. - Eric Cancès; Claude Le Bris; Yvon Maday; Gabriel Turinici (J. Sci. Comput., 2002)

Maximal probability domains in linear molecules. - Ana Gallegos; Ramon Carbó-Dorca; François Lodier; Eric Cancès; Andreas Savin (J. Comput. Chem., 2005)

Well-Posedness of a Multiscale Model for Concentrated Suspensions. - Eric Cancès; Isabelle Catto; Yousra Gati; Claude Le Bris (Multiscale Model. Simul., 2005)

Long-time averaging for integrable Hamiltonian dynamics. - Eric Cancès; François Castella; Philippe Chartier; Erwan Faou; Claude Le Bris; Frédéric Legoll; Gabriel Turinici (Numerische Mathematik, 2005)

Mathematical Analysis of a Nonlinear Parabolic Equation Arising in the Modelling of Non-Newtonian Flows. - Eric Cancès; Isabelle Catto; Yousra Gati (SIAM J. Math. Anal., 2005)

Computing electronic structures: A new multiconfiguration approach for excited states. - Eric Cancès; Hervé Galicher; Mathieu Lewin (J. Comput. Phys., 2006)

Domain Decomposition for Electronic Structure Computations. - Maxime Barrault; Guy Bencteux; Eric Cancès; William W. Hager; Claude Le Bris (PARCO, 2007)

Ground state of the time-independent Gross-Pitaevskii equation. - Claude M. Dion; Eric Cancès (Comput. Phys. Commun., 2007)

Multilevel domain decomposition for electronic structure calculations. - Maxime Barrault; Eric Cancès; William W. Hager; Claude Le Bris (J. Comput. Phys., 2007)

Homogenization approach to filtration through a fibrous medium. - Mohamed Belhadj; Eric Cancès; Jean-Frédéric Gerbeau; Andro Mikelic (Networks Heterog. Media, 2007)

Numerical Analysis of Nonlinear Eigenvalue Problems. - Eric Cancès; Rachida Chakir; Yvon Maday (J. Sci. Comput., 2010)

Analysis of a Quadratic Programming Decomposition Algorithm. - Guy Bencteux; Eric Cancès; William W. Hager; Claude Le Bris (SIAM J. Numer. Anal., 2010)

Periodic Schrödinger Operators with Local Defects and Spectral Pollution. - Eric Cancès; Virginie Ehrlacher; Yvon Maday (SIAM J. Numer. Anal., 2012)

Non-consistent approximations of self-adjoint eigenproblems: application to the supercell method. - Eric Cancès; Virginie Ehrlacher; Yvon Maday (Numerische Mathematik, 2014)

A perturbation-method-based post-processing for the planewave discretization of Kohn-Sham models. - Eric Cancès; Geneviève Dusson; Yvon Maday; Benjamin Stamm; Martin Vohralík (J. Comput. Phys., 2016)

Guaranteed and Robust a Posteriori Bounds for Laplace Eigenvalues and Eigenvectors: Conforming Approximations. - Eric Cancès; Geneviève Dusson; Yvon Maday; Benjamin Stamm; Martin Vohralík (SIAM J. Numer. Anal., 2017)

Compression of Wannier functions into Gaussian-type orbitals. - Athmane Bakhta; Eric Cancès; Paul Cazeaux; Shiang Fang; Efthimios Kaxiras (Comput. Phys. Commun., 2018)

Guaranteed and robust a posteriori bounds for Laplace eigenvalues and eigenvectors: a unified framework. - Eric Cancès; Geneviève Dusson; Yvon Maday; Benjamin Stamm; Martin Vohralík (Numerische Mathematik, 2018)

Van der Waals Interactions Between Two Hydrogen Atoms: The Slater-Kirkwood Method Revisited. - Eric Cancès; L. Ridgway Scott (SIAM J. Math. Anal., 2018)

A posteriori error estimation for the non-self-consistent Kohn-Sham equations. - Michael F. Herbst; Antoine Levitt; Eric Cancès (CoRR, 2020)

An embedded corrector problem for homogenization. Part II: Algorithms and discretization. - Eric Cancès; Virginie Ehrlacher; Frédéric Legoll; Benjamin Stamm; Shuyang Xiang (J. Comput. Phys., 2020)

An Embedded Corrector Problem for Homogenization. Part I: Theory. - Eric Cancès; Virginie Ehrlacher; Frédéric Legoll; Benjamin Stamm; Shuyang Xiang (Multiscale Model. Simul., 2020)

Guaranteed a posteriori bounds for eigenvalues and eigenvectors: Multiplicities and clusters. - Eric Cancès; Geneviève Dusson; Yvon Maday; Benjamin Stamm; Martin Vohralík (Math. Comput., 2020)

Variational projector augmented-wave method: theoretical analysis and preliminary numerical results. - X. Blanc; Eric Cancès; Mi-Song Dupuy (Numerische Mathematik, 2020)

Numerical quadrature in the Brillouin zone for periodic Schrödinger operators. - Eric Cancès; Virginie Ehrlacher; David Gontier; Antoine Levitt; Damiano Lombardi (Numerische Mathematik, 2020)

Multi-center decomposition of molecular densities: a mathematical perspective. - Robert Benda; Eric Cancès; Virginie Ehrlacher; Benjamin Stamm (CoRR, 2021)

Convergence Analysis of Direct Minimization and Self-Consistent Iterations. - Eric Cancès; Gaspard Kemlin; Antoine Levitt (SIAM J. Matrix Anal. Appl., 2021)

A priori error analysis of linear and nonlinear periodic Schr{ö}dinger equations with analytic potentials. - Eric Cancès; Gaspard Kemlin; Antoine Levitt (CoRR, 2022)

On basis set optimisation in quantum chemistry. - Eric Cancès; Geneviève Dusson; Gaspard Kemlin; Laurent Vidal (CoRR, 2022)

Numerical stability and efficiency of response property calculations in density functional theory. - Eric Cancès; Michael F. Herbst; Gaspard Kemlin; Antoine Levitt; Benjamin Stamm (CoRR, 2022)

Practical Error Bounds for Properties in Plane-Wave Electronic Structure Calculations. - Eric Cancès; Geneviève Dusson; Gaspard Kemlin; Antoine Levitt (SIAM J. Sci. Comput., 2022)

Modified-operator method for the calculation of band diagrams of crystalline materials. - Eric Cancès; Muhammad Hassan; Laurent Vidal (Math. Comput., 2023)

Fully guaranteed and computable error bounds on the energy for periodic Kohn-Sham equations with convex density functionals. - Andrea Bordignon; Geneviève Dusson; Eric Cancès; Gaspard Kemlin; Rafael Antonio Lainez Reyes; Benjamin Stamm (CoRR, 2024)

A Priori Error Analysis of Linear and Nonlinear Periodic Schrödinger Equations with Analytic Potentials. - Eric Cancès; Gaspard Kemlin; Antoine Levitt (J. Sci. Comput., 2024)